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GPCR

NameB2 bradykinin receptor
SpeciesHomo sapiens (Human)
GeneBDKRB2
SynonymB2R
B2BRA
BK-2 receptor
B2BKR
B2 receptor
[ Show all ]
DiseaseUnspecified
Cancer
Hereditary angioedema
Inflammatory disease
Osteoarthritis
[ Show all ]
Length391
Amino acid sequenceMFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQIMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLHRLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEVYQGVCQKGGCRSEPIQMENSMGTLRTSISVERQIHKLQDWAGSRQ
UniProtP30411
Protein Data BankN/A
GPCR-HGmod modelP30411
3D structure modelThis predicted structure model is from GPCR-EXP P30411.
BioLiPN/A
Therapeutic Target DatabaseT23714
ChEMBLCHEMBL3157
IUPHAR42
DrugBankBE0003513

Ligand

NameCHEMBL121565
Molecular formulaC45H78Cl2OP2
IUPAC nametripentyl-[[4-[4-(tripentylphosphaniumylmethyl)benzoyl]phenyl]methyl]phosphanium;dichloride
Molecular weight767.966
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyBYWNLMALOJBBSF-UHFFFAOYSA-L
Inchi IDInChI=1S/C45H78OP2.2ClH/c1-7-13-19-33-47(34-20-14-8-2,35-21-15-9-3)39-41-25-29-43(30-26-41)45(46)44-31-27-42(28-32-44)40-48(36-22-16-10-4,37-23-17-11-5)38-24-18-12-6;;/h25-32H,7-24,33-40H2,1-6H3;2*1H/q+2;;/p-2
PubChem CID10373001
ChEMBLCHEMBL121565
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Ki770.0 nMBioorg. Med. Chem. Lett., (1995) 5:4:357, Bioorg. Med. Chem. Lett., (1995) 5:4:363ChEMBL

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